LAMMPS (22 Aug 2018)
# 3d Lennard-Jones melt - server script

variable        mode index file

if "${mode} == file" then   "message server md file tmp.couple" elif "${mode} == zmq"   "message server md zmq *:5555" elif "${mode} == mpione"   "message server md mpi/one" elif "${mode} == mpitwo"   "message server md mpi/two tmp.couple"
message server md file tmp.couple

units		lj
atom_style	atomic
atom_modify     map yes

lattice		fcc 0.8442
Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
region		box block 0 1 0 1 0 1
create_box	1 box
Created orthogonal box = (0 0 0) to (1.6796 1.6796 1.6796)
  1 by 1 by 1 MPI processor grid
mass            * 1.0      # masses not used by server

pair_style	lj/cut 2.5
pair_coeff	1 1 1.0 1.0 2.5

neighbor	0.3 bin
neigh_modify	delay 0 every 1 check yes

server          md
  1 by 1 by 1 MPI processor grid
WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 2.8
  ghost atom cutoff = 2.8
  binsize = 1.4, bins = 6 6 6
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Server MD calls = 51
Server MD reneighborings 5
Total wall time: 0:00:05
